Skip to content
Snippets Groups Projects
Commit 75b73894 authored by Johannes Wasmer's avatar Johannes Wasmer
Browse files

atomistic-ml flowchart improve arrows (draw node underpasses clearer)

parent 64589231
Branches
No related tags found
No related merge requests found
......@@ -19,6 +19,10 @@
%
% Unit conversion did not resolve scaling issue. Instead, exported to pdf and included that as a graphic.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\tikzstyle{v}=[node distance=48.79223]
\tikzstyle{h}=[node distance=113.811]
\usetikzlibrary{positioning,shapes,arrows}
\usetikzlibrary{arrows.meta}
\pgfdeclarelayer{higher}
\pgfdeclarelayer{highest}
\pgfsetlayers{main,higher,highest}
......@@ -75,19 +79,31 @@
text=fzjwhite
},
/arr/active/.style={%
-latex,
-{Triangle[scale=0.07em]},
line width=2,
color=helmholtzlightblue,
},
/arr/ml/.style={%
-latex,
-{Triangle[scale=0.07em]},
line width=2,
color=mint,
},
/arr/ml2/.style={%
-latex,
-{Triangle[scale=0.07em]},
line width=2,
color=mint,
},
/arr/mlUnderpassOut/.style={% underpass (no arrow, shortened)
-{|[scale=0.05em]},
line width=2,
color=mint,
shorten >=0.3em
},
/arr/mlUnderpassIn/.style={%
{|[scale=0.05em]}-{Triangle[scale=0.07em]},
line width=2,
color=mint,
shorten <=0.3em
},
/arr/passive/.style={%
-latex,
......@@ -153,9 +169,7 @@
% },
}
\tikzstyle{v}=[node distance=48.79223]
\tikzstyle{h}=[node distance=113.811]
\usetikzlibrary{positioning,shapes,arrows}
\begin{tikzpicture}[
scale=0.75, transform shape, %font=\ttfamily,
uses/.style={-{angle 60},line width=2,dashed},
......@@ -186,11 +200,6 @@
% surrogate-2 (secondary)
\draw node[/box/ml2,v] (surrogate-2) [below=.7 of secondary] {Secondary Emulator\\ {\footnotesize\textit{Magnetic properties}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
% \draw[/arr/active] (atoms) |- (surrogate);
\begin{scope}[transform canvas={yshift=-7}]
% shift arrow st surrogate input arrows not overlaid
\draw[/arr/ml2] (representation) -- (surrogate-2) node[midway,right=-4.4,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
\end{scope}
\draw node[/box/active,v] (spirit) [below=.7 of tertiary] {Multiscale simulator\\\logoAiida\hspace{-0.3em}-Spirit\,\logoSpiritCircledXTwo};
\begin{scope}[transform canvas={yshift=-7}]
\draw[/arr/ml2] (surrogate-2) -- (spirit);
......@@ -199,6 +208,13 @@
% surrogate-1 (primary)
\draw node[/box/ml,v] (surrogate-1) [below=.7 of primary] {\textbf{Primary Emulator}\\{\scriptsize{\textit{Charge density, potential}}} \logoNeuralNetworkSolidCircledHelmholtzdarkblueBgWhite};
\draw[/arr/ml] (atoms) -- (representation);
% \draw[/arr/active] (atoms) |- (surrogate);
\begin{scope}[transform canvas={yshift=-7}]
% shift arrow st surrogate input arrows not overlaid
% \draw[/arr/ml2] (representation) -- (surrogate-2) node[midway,right=-4.4,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
\draw[/arr/mlUnderpassOut] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-6.0] {\textit{\textcolor{mint}{invariant}}};
\draw[/arr/mlUnderpassIn] (surrogate-1) -- (surrogate-2);
\end{scope}
\begin{scope}[transform canvas={yshift=7}]
% shift arrow st surrogate input arrows not overlaid
\draw[/arr/ml] (representation) -- (surrogate-1) node[midway,right=-2.1,yshift=-7.5] {\textit{\textcolor{mint}{equivariant}}};
......@@ -207,10 +223,10 @@
\begin{scope}[transform canvas={xshift=-18}]
\draw[/arr/active] (primary) -- (surrogate-1) node[midway,right=-2.5,yshift=0,rotate=0] {\textit{\textcolor{helmholtzlightblue}{train}}};
\end{scope}
\draw[/arr/line] [color=mint] (surrogate-1) -- (primary);
\draw[/arr/mlUnderpassOut] [color=mint] (surrogate-1) -- (primary);
%
\node[above=.7 of dft, minimum height=0] (dummypreserveheight) {}; % for arrow above in 6-kkr
\draw[/arr/ml] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
\draw[/arr/mlUnderpassIn] (primary.north) -- ++(0,.7) -| (dft) node[midway,right=0.3,yshift=-10] {\textit{\textcolor{mint}{\logoAiida feedback}}};
%
%\draw[/arr/active] (primary) -- (surrogate-2) node[midway,right=-2.3,yshift=19,rotate=-22.5] {\textit{train}};
\begin{scope}[transform canvas={xshift=-0}]
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment